UCSF

ZINC31963643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 4.06 -61.44 4 6 1 88 334.421 4
Hi High (pH 8-9.5) 1.10 2.99 -60.89 3 6 0 94 333.413 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )